Formula |
C27H30N4O4 |
IUPAC Name |
5-[4-[(2r)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1h-pyridine-3-carbonitrile |
Molecular Mass |
474.552 g·mol−1 |
Heat of Formation |
-262.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.68 ± 1.08 D |
Volume |
576.1 Å 3 |
Surface Area |
497.13 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
-1.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KLEKLDFUYOZELG-JOCHJYFZSA-N |
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Elements |
H
C
O
N
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